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choderalab / itctools

Tools for setting up ITC experiments in an automated fashion using the Tecan EVO and Auto-iTC 200.
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Naproxen experiments #27

Open bas-rustenburg opened 9 years ago

bas-rustenburg commented 9 years ago

Sodium concentration seems to affect the affinity See this paper: http://pubs.acs.org/doi/pdf/10.1021/jp062734p Table 3 in particular.

Since we're using 100mM NaPO3, what shall I assume for the affinity in our guess?

jchodera commented 9 years ago

Can you add PDF to Zotero?

bas-rustenburg commented 9 years ago

Added. Not sure if it picked up the title, but the file is called naproxen.pdf. Let me know if you can't find it.

On Mon, Nov 17, 2014 at 11:25 PM, John Chodera notifications@github.com wrote:

Can you add PDF to Zotero?

— Reply to this email directly or view it on GitHub https://github.com/choderalab/itctools/issues/27#issuecomment-63421031.

jchodera commented 9 years ago

100 mM Na2PO3 is very roughly equivalent to 200 mM NaCl, which is Ka = 1.7+-0.4 x 10^7 / M and DeltaH = -1.97 +- 0.02 x 10^4 cal/mol.

bas-rustenburg commented 9 years ago

Ah, of course, its Na2PO3, not NAPO3. :-1: to me for not realizing that. Okay, that makes the math easier!